3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene

C137H94BrN — CID 161338390

IUPAC3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene
SMILESBrc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H47N.C44H32.C25H15Br/c1-6-20-48(21-7-1)49-34-39-56(40-35-49)69(58-43-45-65-62(47-58)60-31-17-19-33-64(60)67(65,52-22-8-2-9-23-52)53-24-10-3-11-25-53)57-41-36-50(37-42-57)51-38-44-61-59-30-16-18-32-63(59)68(66(61)46-51,54-26-12-4-13-27-54)55-28-14-5-15-29-55;1-4-12-34(13-5-1)35-24-20-32(21-25-35)30-33-22-26-36(27-23-33)37-28-29-41-40-18-10-11-19-42(40)44(43(41)31-37,38-14-6-2-7-15-38)39-16-8-3-9-17-39;26-16-13-14-24-20(15-16)19-9-3-6-12-23(19)25(24)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-47H;1-29,31H,30H2;1-15H
InChIKeyVMIOXQVACNCTFF-UHFFFAOYSA-N
MW1834.17 g/mol
LogP34.98
Rot. Bonds15

About 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene

3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene (PubChem CID 161338390) has the molecular formula C137H94BrN and a molecular weight of 1834.17 g/mol. Its IUPAC name is 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene.

Molecular Properties

Compound Name3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene
PubChem CID161338390
Molecular FormulaC137H94BrN
Molecular Weight1834.17 g/mol
Exact Mass1831.66
IUPAC Name3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene
SMILESBrc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H47N.C44H32.C25H15Br/c1-6-20-48(21-7-1)49-34-39-56(40-35-49)69(58-43-45-65-62(47-58)60-31-17-19-33-64(60)67(65,52-22-8-2-9-23-52)53-24-10-3-11-25-53)57-41-36-50(37-42-57)51-38-44-61-59-30-16-18-32-63(59)68(66(61)46-51,54-26-12-4-13-27-54)55-28-14-5-15-29-55;1-4-12-34(13-5-1)35-24-20-32(21-25-35)30-33-22-26-36(27-23-33)37-28-29-41-40-18-10-11-19-42(40)44(43(41)31-37,38-14-6-2-7-15-38)39-16-8-3-9-17-39;26-16-13-14-24-20(15-16)19-9-3-6-12-23(19)25(24)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-47H;1-29,31H,30H2;1-15H
InChIKeyVMIOXQVACNCTFF-UHFFFAOYSA-N
XLogP34.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.17
LogP ≤ 534.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene with MolForge

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Related Compounds

2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-(3-bromophenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3-bromophenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;5-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 159189943
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene?
The IUPAC name of 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene (CID 161338390) is 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene.
What is the SMILES notation for 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene?
The canonical SMILES for 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene is Brc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene?
The InChIKey is VMIOXQVACNCTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N.C44H32.C25H15Br/c1-6-20-48(21-7-1)49-34-39-56(40-35-49)69(58-43-45-65-62(47-58)60-31-17-19-33-64(60)67(65,52-22-8-2-9-23-52)53-24-10-3-11-25-53)57-41-36-50(37-42-57)51-38-44-61-59-30-16-18-32-63(59)68(66(61)46-51,54-26-12-4-13-27-54)55-28-14-5-15-29-55;1-4-12-34(13-5-1)35-24-20-32(21-25-35)30-33-22-26-36(27-23-33)37-28-29-41-40-18-10-11-19-42(40)44(43(41)31-37,38-14-6-2-7-15-38)39-16-8-3-9-17-39;26-16-13-14-24-20(15-16)19-9-3-6-12-23(19)25(24)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-47H;1-29,31H,30H2;1-15H.
What are the key properties of 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene?
3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene has a molecular weight of 1834.17 g/mol, XLogP of 34.98, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene is sourced from PubChem (CID 161338390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).