N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine

C153H109N3 — CID 155305640

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(-c4cccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccccc8-9)c8c(-c9cccc(-c%10ccc(N(c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c%11c(-c%12ccccc%12)c%12ccccc%12c%12ccccc%11%12)c(-c%11ccccc%11)c%10)c9)c9ccccc9c9ccccc89)cc7)cc6)cc5)c4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C153H109N3/c1-151(2)138-64-31-28-55-125(138)128-87-84-116(95-141(128)151)154(149-135-62-26-20-53-123(135)121-51-18-24-60-133(121)147(149)113-48-36-46-110(93-113)111-79-90-144(137(94-111)105-39-12-8-13-40-105)156(118-86-89-130-127-57-30-33-66-140(127)153(5,6)143(130)97-118)150-136-63-27-21-54-124(136)119-49-16-22-58-131(119)145(150)106-41-14-9-15-42-106)114-80-75-102(76-81-114)101-69-67-99(68-70-101)100-71-73-103(74-72-100)109-45-35-47-112(92-109)146-132-59-23-17-50-120(132)122-52-19-25-61-134(122)148(146)155(117-85-88-129-126-56-29-32-65-139(126)152(3,4)142(129)96-117)115-82-77-104(78-83-115)108-44-34-43-107(91-108)98-37-10-7-11-38-98/h7-97H,1-6H3
InChIKeyHPSSDUVPKNDOIU-UHFFFAOYSA-N
MW1989.58 g/mol
LogP42.60
Rot. Bonds19

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine (PubChem CID 155305640) has the molecular formula C153H109N3 and a molecular weight of 1989.58 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
PubChem CID155305640
Molecular FormulaC153H109N3
Molecular Weight1989.58 g/mol
Exact Mass1987.86
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(-c4cccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccccc8-9)c8c(-c9cccc(-c%10ccc(N(c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c%11c(-c%12ccccc%12)c%12ccccc%12c%12ccccc%11%12)c(-c%11ccccc%11)c%10)c9)c9ccccc9c9ccccc89)cc7)cc6)cc5)c4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C153H109N3/c1-151(2)138-64-31-28-55-125(138)128-87-84-116(95-141(128)151)154(149-135-62-26-20-53-123(135)121-51-18-24-60-133(121)147(149)113-48-36-46-110(93-113)111-79-90-144(137(94-111)105-39-12-8-13-40-105)156(118-86-89-130-127-57-30-33-66-140(127)153(5,6)143(130)97-118)150-136-63-27-21-54-124(136)119-49-16-22-58-131(119)145(150)106-41-14-9-15-42-106)114-80-75-102(76-81-114)101-69-67-99(68-70-101)100-71-73-103(74-72-100)109-45-35-47-112(92-109)146-132-59-23-17-50-120(132)122-52-19-25-61-134(122)148(146)155(117-85-88-129-126-56-29-32-65-139(126)152(3,4)142(129)96-117)115-82-77-104(78-83-115)108-44-34-43-107(91-108)98-37-10-7-11-38-98/h7-97H,1-6H3
InChIKeyHPSSDUVPKNDOIU-UHFFFAOYSA-N
XLogP42.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001989.58
LogP ≤ 542.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155304597
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine
CID 158923268
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-[4-[4-[4-[3-[10-[4-[4-[4-[3-[10-[3,5-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]-2-phenylphenyl]phenyl]-N-[10-(4-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155304160
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine (CID 155305640) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(-c4cccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc9c(c8)C(C)(C)c8ccccc8-9)c8c(-c9cccc(-c%10ccc(N(c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c%11c(-c%12ccccc%12)c%12ccccc%12c%12ccccc%11%12)c(-c%11ccccc%11)c%10)c9)c9ccccc9c9ccccc89)cc7)cc6)cc5)c4)c4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine?
The InChIKey is HPSSDUVPKNDOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C153H109N3/c1-151(2)138-64-31-28-55-125(138)128-87-84-116(95-141(128)151)154(149-135-62-26-20-53-123(135)121-51-18-24-60-133(121)147(149)113-48-36-46-110(93-113)111-79-90-144(137(94-111)105-39-12-8-13-40-105)156(118-86-89-130-127-57-30-33-66-140(127)153(5,6)143(130)97-118)150-136-63-27-21-54-124(136)119-49-16-22-58-131(119)145(150)106-41-14-9-15-42-106)114-80-75-102(76-81-114)101-69-67-99(68-70-101)100-71-73-103(74-72-100)109-45-35-47-112(92-109)146-132-59-23-17-50-120(132)122-52-19-25-61-134(122)148(146)155(117-85-88-129-126-56-29-32-65-139(126)152(3,4)142(129)96-117)115-82-77-104(78-83-115)108-44-34-43-107(91-108)98-37-10-7-11-38-98/h7-97H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine has a molecular weight of 1989.58 g/mol, XLogP of 42.60, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine is sourced from PubChem (CID 155305640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).