N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine

C67H43N3 — CID 163813386

IUPACN-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43N3/c1-3-18-46(19-4-1)68(64-33-17-30-60-66(64)55-26-9-14-29-59(55)67(60)57-27-12-7-22-50(57)51-23-8-13-28-58(51)67)48-37-34-44(35-38-48)45-36-41-63-56(42-45)53-25-11-16-32-62(53)70(63)49-39-40-54-52-24-10-15-31-61(52)69(65(54)43-49)47-20-5-2-6-21-47/h1-43H
InChIKeyNPFUAJHKXTUKIN-UHFFFAOYSA-N
MW890.10 g/mol
LogP17.36
Rot. Bonds6

About N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine

N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 163813386) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID163813386
Molecular FormulaC67H43N3
Molecular Weight890.10 g/mol
Exact Mass889.35
IUPAC NameN-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43N3/c1-3-18-46(19-4-1)68(64-33-17-30-60-66(64)55-26-9-14-29-59(55)67(60)57-27-12-7-22-50(57)51-23-8-13-28-58(51)67)48-37-34-44(35-38-48)45-36-41-63-56(42-45)53-25-11-16-32-62(53)70(63)49-39-40-54-52-24-10-15-31-61(52)69(65(54)43-49)47-20-5-2-6-21-47/h1-43H
InChIKeyNPFUAJHKXTUKIN-UHFFFAOYSA-N
XLogP17.36
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167176590
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 163813386) is N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is NPFUAJHKXTUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-3-18-46(19-4-1)68(64-33-17-30-60-66(64)55-26-9-14-29-59(55)67(60)57-27-12-7-22-50(57)51-23-8-13-28-58(51)67)48-37-34-44(35-38-48)45-36-41-63-56(42-45)53-25-11-16-32-62(53)70(63)49-39-40-54-52-24-10-15-31-61(52)69(65(54)43-49)47-20-5-2-6-21-47/h1-43H.
What are the key properties of N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 890.10 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 163813386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).