3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C178H123N3 — CID 139519919

IUPAC3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12ccc%13c(c%12)C%12(c%14ccccc%14-c%14ccccc%14%12)c%12ccccc%12-%13)ccc%10-%11)cc8-9)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc76)cc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C178H123N3/c1-171(2)149-52-26-15-41-127(149)138-86-71-114(99-162(138)171)111-69-77-119(78-70-111)179(120-79-88-140-128-42-16-27-53-150(128)172(3,4)164(140)101-120)118-75-67-109(68-76-118)108-63-65-110(66-64-108)112-74-96-161-148(97-112)137-51-25-36-62-160(137)178(161)159-61-35-24-50-136(159)145-93-84-126(107-170(145)178)181(125-83-92-144-135-49-23-34-60-158(135)177(169(144)106-125)155-57-31-20-45-131(155)132-46-21-32-58-156(132)177)122-85-94-146-147-98-113(73-95-151(147)173(5,6)166(146)103-122)115-72-87-139-141-89-80-121(102-165(141)174(7,8)163(139)100-115)180(123-81-90-142-133-47-17-28-54-152(133)175(167(142)104-123,116-37-11-9-12-38-116)117-39-13-10-14-40-117)124-82-91-143-134-48-22-33-59-157(134)176(168(143)105-124)153-55-29-18-43-129(153)130-44-19-30-56-154(130)176/h9-107H,1-8H3
InChIKeyCEDWLMNTCHJTNY-UHFFFAOYSA-N
MW2303.96 g/mol
LogP45.38
Rot. Bonds15

About 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine

3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 139519919) has the molecular formula C178H123N3 and a molecular weight of 2303.96 g/mol. Its IUPAC name is 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID139519919
Molecular FormulaC178H123N3
Molecular Weight2303.96 g/mol
Exact Mass2301.97
IUPAC Name3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12ccc%13c(c%12)C%12(c%14ccccc%14-c%14ccccc%14%12)c%12ccccc%12-%13)ccc%10-%11)cc8-9)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc76)cc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C178H123N3/c1-171(2)149-52-26-15-41-127(149)138-86-71-114(99-162(138)171)111-69-77-119(78-70-111)179(120-79-88-140-128-42-16-27-53-150(128)172(3,4)164(140)101-120)118-75-67-109(68-76-118)108-63-65-110(66-64-108)112-74-96-161-148(97-112)137-51-25-36-62-160(137)178(161)159-61-35-24-50-136(159)145-93-84-126(107-170(145)178)181(125-83-92-144-135-49-23-34-60-158(135)177(169(144)106-125)155-57-31-20-45-131(155)132-46-21-32-58-156(132)177)122-85-94-146-147-98-113(73-95-151(147)173(5,6)166(146)103-122)115-72-87-139-141-89-80-121(102-165(141)174(7,8)163(139)100-115)180(123-81-90-142-133-47-17-28-54-152(133)175(167(142)104-123,116-37-11-9-12-38-116)117-39-13-10-14-40-117)124-82-91-143-134-48-22-33-59-157(134)176(168(143)105-124)153-55-29-18-43-129(153)130-44-19-30-56-154(130)176/h9-107H,1-8H3
InChIKeyCEDWLMNTCHJTNY-UHFFFAOYSA-N
XLogP45.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002303.96
LogP ≤ 545.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 139519919) is 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12ccc%13c(c%12)C%12(c%14ccccc%14-c%14ccccc%14%12)c%12ccccc%12-%13)ccc%10-%11)cc8-9)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc76)cc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is CEDWLMNTCHJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C178H123N3/c1-171(2)149-52-26-15-41-127(149)138-86-71-114(99-162(138)171)111-69-77-119(78-70-111)179(120-79-88-140-128-42-16-27-53-150(128)172(3,4)164(140)101-120)118-75-67-109(68-76-118)108-63-65-110(66-64-108)112-74-96-161-148(97-112)137-51-25-36-62-160(137)178(161)159-61-35-24-50-136(159)145-93-84-126(107-170(145)178)181(125-83-92-144-135-49-23-34-60-158(135)177(169(144)106-125)155-57-31-20-45-131(155)132-46-21-32-58-156(132)177)122-85-94-146-147-98-113(73-95-151(147)173(5,6)166(146)103-122)115-72-87-139-141-89-80-121(102-165(141)174(7,8)163(139)100-115)180(123-81-90-142-133-47-17-28-54-152(133)175(167(142)104-123,116-37-11-9-12-38-116)117-39-13-10-14-40-117)124-82-91-143-134-48-22-33-59-157(134)176(168(143)105-124)153-55-29-18-43-129(153)130-44-19-30-56-154(130)176/h9-107H,1-8H3.
What are the key properties of 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2303.96 g/mol, XLogP of 45.38, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 139519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).