N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine

C75H48N2O2 — CID 146659255

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(Cc5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C75H48N2O2/c1-2-21-52(22-3-1)77-65-34-13-6-23-53(65)56-46-49(42-45-66(56)77)48-40-43-51(44-41-48)76(67-35-19-33-64-73(67)55-25-5-8-27-58(55)75(64)61-30-11-16-38-70(61)79-71-39-17-12-31-62(71)75)47-50-20-18-32-63-72(50)54-24-4-7-26-57(54)74(63)59-28-9-14-36-68(59)78-69-37-15-10-29-60(69)74/h1-46H,47H2
InChIKeyIHVLOAYLOIJSBM-UHFFFAOYSA-N
MW1009.22 g/mol
LogP18.73
Rot. Bonds6

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 146659255) has the molecular formula C75H48N2O2 and a molecular weight of 1009.22 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID146659255
Molecular FormulaC75H48N2O2
Molecular Weight1009.22 g/mol
Exact Mass1008.37
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(Cc5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C75H48N2O2/c1-2-21-52(22-3-1)77-65-34-13-6-23-53(65)56-46-49(42-45-66(56)77)48-40-43-51(44-41-48)76(67-35-19-33-64-73(67)55-25-5-8-27-58(55)75(64)61-30-11-16-38-70(61)79-71-39-17-12-31-62(71)75)47-50-20-18-32-63-72(50)54-24-4-7-26-57(54)74(63)59-28-9-14-36-68(59)78-69-37-15-10-29-60(69)74/h1-46H,47H2
InChIKeyIHVLOAYLOIJSBM-UHFFFAOYSA-N
XLogP18.73
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.22
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
CID 137468935
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
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-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
CID 118614739
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 146659255) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(Cc5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is IHVLOAYLOIJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N2O2/c1-2-21-52(22-3-1)77-65-34-13-6-23-53(65)56-46-49(42-45-66(56)77)48-40-43-51(44-41-48)76(67-35-19-33-64-73(67)55-25-5-8-27-58(55)75(64)61-30-11-16-38-70(61)79-71-39-17-12-31-62(71)75)47-50-20-18-32-63-72(50)54-24-4-7-26-57(54)74(63)59-28-9-14-36-68(59)78-69-37-15-10-29-60(69)74/h1-46H,47H2.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 1009.22 g/mol, XLogP of 18.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 146659255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).