2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine

C73H48F4N4 — CID 89223638

IUPAC2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine
SMILESFc1ccc(N(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1F
InChIInChI=1S/C73H48F4N4/c74-65-37-31-55(45-67(65)76)78(51-33-39-71-61(41-51)59-25-13-15-27-69(59)80(71)49-21-9-3-10-22-49)53-29-35-57-58-36-30-54(44-64(58)73(63(57)43-53,47-17-5-1-6-18-47)48-19-7-2-8-20-48)79(56-32-38-66(75)68(77)46-56)52-34-40-72-62(42-52)60-26-14-16-28-70(60)81(72)50-23-11-4-12-24-50/h1-33,35-39,41-46H,34,40H2
InChIKeyDKXJWZDJTDLNKC-UHFFFAOYSA-N
MW1057.21 g/mol
LogP19.24
Rot. Bonds10

About 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine

2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine (PubChem CID 89223638) has the molecular formula C73H48F4N4 and a molecular weight of 1057.21 g/mol. Its IUPAC name is 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine
PubChem CID89223638
Molecular FormulaC73H48F4N4
Molecular Weight1057.21 g/mol
Exact Mass1056.38
IUPAC Name2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine
SMILESFc1ccc(N(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1F
InChIInChI=1S/C73H48F4N4/c74-65-37-31-55(45-67(65)76)78(51-33-39-71-61(41-51)59-25-13-15-27-69(59)80(71)49-21-9-3-10-22-49)53-29-35-57-58-36-30-54(44-64(58)73(63(57)43-53,47-17-5-1-6-18-47)48-19-7-2-8-20-48)79(56-32-38-66(75)68(77)46-56)52-34-40-72-62(42-52)60-26-14-16-28-70(60)81(72)50-23-11-4-12-24-50/h1-33,35-39,41-46H,34,40H2
InChIKeyDKXJWZDJTDLNKC-UHFFFAOYSA-N
XLogP19.24
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.21
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine (CID 89223638) is 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine is Fc1ccc(N(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1F.
What is the InChIKey of 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine?
The InChIKey is DKXJWZDJTDLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48F4N4/c74-65-37-31-55(45-67(65)76)78(51-33-39-71-61(41-51)59-25-13-15-27-69(59)80(71)49-21-9-3-10-22-49)53-29-35-57-58-36-30-54(44-64(58)73(63(57)43-53,47-17-5-1-6-18-47)48-19-7-2-8-20-48)79(56-32-38-66(75)68(77)46-56)52-34-40-72-62(42-52)60-26-14-16-28-70(60)81(72)50-23-11-4-12-24-50/h1-33,35-39,41-46H,34,40H2.
What are the key properties of 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine?
2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine has a molecular weight of 1057.21 g/mol, XLogP of 19.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine is sourced from PubChem (CID 89223638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).