N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine

C61H42N2 — CID 122593289

IUPACN-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)c([2H])c1[2H]
InChIInChI=1S/C61H42N2/c1-5-17-43(18-6-1)45-29-34-50(35-30-45)62(51-36-31-46(32-37-51)44-19-7-2-8-20-44)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-21-9-3-10-22-47)48-33-40-60-56(41-48)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49/h1-42H/i1D,5D,6D,17D,18D
InChIKeyHQKKLJRHGQMLPM-WCEQKODJSA-N
MW808.05 g/mol
LogP15.95
Rot. Bonds8

About N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 122593289) has the molecular formula C61H42N2 and a molecular weight of 808.05 g/mol. Its IUPAC name is N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID122593289
Molecular FormulaC61H42N2
Molecular Weight808.05 g/mol
Exact Mass807.37
IUPAC NameN-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)c([2H])c1[2H]
InChIInChI=1S/C61H42N2/c1-5-17-43(18-6-1)45-29-34-50(35-30-45)62(51-36-31-46(32-37-51)44-19-7-2-8-20-44)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-21-9-3-10-22-47)48-33-40-60-56(41-48)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49/h1-42H/i1D,5D,6D,17D,18D
InChIKeyHQKKLJRHGQMLPM-WCEQKODJSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.05
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
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
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 157202960
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine (CID 122593289) is N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)c([2H])c1[2H].
What is the InChIKey of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is HQKKLJRHGQMLPM-WCEQKODJSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-17-43(18-6-1)45-29-34-50(35-30-45)62(51-36-31-46(32-37-51)44-19-7-2-8-20-44)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-21-9-3-10-22-47)48-33-40-60-56(41-48)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49/h1-42H/i1D,5D,6D,17D,18D.
What are the key properties of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 808.05 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122593289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).